CID 3060721

B 709

Structural Information

Molecular Formula
C10H21Cl2N2O2P
SMILES
CCC1C(CNP(=O)(O1)N(CCCl)CCCl)C
InChI
InChI=1S/C10H21Cl2N2O2P/c1-3-10-9(2)8-13-17(15,16-10)14(6-4-11)7-5-12/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKey
ZULRCOHEQPQWAX-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-6-ethyl-5-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07178 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07906 164.8
[M+Na]+ 325.06100 171.2
[M-H]- 301.06450 165.4
[M+NH4]+ 320.10560 181.1
[M+K]+ 341.03494 168.1
[M+H-H2O]+ 285.06904 158.1
[M+HCOO]- 347.06998 178.7
[M+CH3COO]- 361.08563 204.0
[M+Na-2H]- 323.04645 164.7
[M]+ 302.07123 168.0
[M]- 302.07233 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.